Phenylmethylpentanal
TL;DR: Phenylmethylpentanal (CAS 55066-49-4) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-phenylpentanal
Also Known As: 3-methyl-5-phenylpentanal, phenylmethylpentanal, Citralis, MEFRANAL, lily pentanal
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 55066-49-4 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)CC=O |
| InChIKey | DFJMIMVMOIFPQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylmethylpentanal (CAS 55066-49-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-methyl-5-phenylpentanal.
Chemical Property Profile of Phenylmethylpentanal
Property Insights of Phenylmethylpentanal
The XLogP value of 3.0 indicates that Phenylmethylpentanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Phenylmethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethylpentanal has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylmethylpentanal?
The CAS number of Phenylmethylpentanal is 55066-49-4.
What is the molecular formula of Phenylmethylpentanal?
The molecular formula of Phenylmethylpentanal is C12H16O.
What is the molecular weight of Phenylmethylpentanal?
The molecular weight of Phenylmethylpentanal is 176.12 g/mol.
Where can I buy Phenylmethylpentanal?
You can request a quote for Phenylmethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.